SCHEMBL16396201

SCHEMBL16396201

CC(C)Oc1cc(Br)cc(C(C)(C)c2cc(Cl)cc([N+](=O)[O-])c2)c1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
S1PR4 O95977 1/20 0.31
HTR2A P28223 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
RORC P51449 1/20 0.30
RORB Q92753 1/20 0.30
CYP19A1 P11511 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16395810 0.87 TSHR (0.37) MEN1NPC1MAPTHTTRAB9A
SCHEMBL16395815 0.85 HTR2A (0.33) MEN1NPC1MAPTHTTRAB9A
SCHEMBL10174909 0.77 CHRNB4 (0.45) MEN1NPC1MAPTHTTRAB9A
SCHEMBL31413307 0.77 CHRNB4 (0.45) MEN1NPC1MAPTHTTRAB9A
SCHEMBL16402101 0.77 S1PR1 (0.38) MAPTS1PR4ALDH1A1
SCHEMBL16396102 0.77 ALDH1A1 (0.40) MEN1MAPTHTTKMT2AGPR35
SCHEMBL16396898 0.76 ALDH1A1 (0.44) MEN1MAPTKMT2AALDH1A1
SCHEMBL19433684 0.72 ALDH1A1 (0.43) MEN1MAPTHTTKMT2AGPR35
SCHEMBL19433250 0.72 APP (0.43) MAPTHTTRAB9AALDH1A1TDP1
SCHEMBL16396157 0.71 ALDH1A1 (0.44) MEN1HTTKMT2AGPR35S1PR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A MEN1 3206/4885NPC1 2269/4885MAPT 4514/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A MEN1 3206/4885NPC1 2269/4885MAPT 4514/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.